Add to ORKGWe present a new efficient and accurate method to perform VCI/VSCF calculations for polyatomic systems
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
we present new strategy to perform vibrational mean field and vibrational configuration interaction ...
International audienceTwo methods are implemented in the Crystal program for the calculation of anha...
We present a new approach for calculating anharmonic corrections to vibrational frequency calculatio...
cited By 0International audienceAn iterative variation-perturbation algorithm allowing a anharmonic ...
International audience; Two methods are implemented in the Crystal program for the calculation of an...
Two methods are implemented in the Crystal program for the calculation of anharmonic vibrational sta...
International audienceThe adaptive vibrational configuration interaction algorithm has been introduc...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
We adapt a variation-perturbation method to perform vibrational configuration interaction (VCI) calc...
we present new strategy to perform vibrational mean field and vibrational configuration interaction ...
International audienceTwo methods are implemented in the Crystal program for the calculation of anha...
We present a new approach for calculating anharmonic corrections to vibrational frequency calculatio...
cited By 0International audienceAn iterative variation-perturbation algorithm allowing a anharmonic ...
International audience; Two methods are implemented in the Crystal program for the calculation of an...
Two methods are implemented in the Crystal program for the calculation of anharmonic vibrational sta...
International audienceThe adaptive vibrational configuration interaction algorithm has been introduc...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self...